(3R)-1-benzyl-3-methylpyrrolidine-2,5-dione

C12H13NO2 — CID 15757785

IUPAC(3R)-1-benzyl-3-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKeyYXXYYYAEJRQKLC-SECBINFHSA-N
MW203.24 g/mol
LogP1.58
Rot. Bonds2

About (3R)-1-benzyl-3-methylpyrrolidine-2,5-dione

(3R)-1-benzyl-3-methylpyrrolidine-2,5-dione (PubChem CID 15757785) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3R)-1-benzyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-3-methylpyrrolidine-2,5-dione
PubChem CID15757785
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(3R)-1-benzyl-3-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKeyYXXYYYAEJRQKLC-SECBINFHSA-N
XLogP1.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Phensuximide
CID 6839
Tebutam
CID 92299
Nebracetam
CID 65926
1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
Benzylmaleimide
CID 74204
1-Benzyl-3-pyrrolidone
CID 79176
Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 98909
1-((4-Methylphenyl)methyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2742110
5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid
CID 616196
2,5-Pyrrolidinedione, 1-(2-phenylethyl)-
CID 95826
1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CID 99024
5-Acetyl-1-benzylpyrrolidin-2-one
CID 19834189

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-3-methylpyrrolidine-2,5-dione (CID 15757785) is (3R)-1-benzyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-3-methylpyrrolidine-2,5-dione is C[C@@H]1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-1-benzyl-3-methylpyrrolidine-2,5-dione?
The InChIKey is YXXYYYAEJRQKLC-SECBINFHSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-methylpyrrolidine-2,5-dione?
(3R)-1-benzyl-3-methylpyrrolidine-2,5-dione has a molecular weight of 203.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 15757785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).